Homocapsaicin
PubChem CID: 6442566
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| Compound Synonyms | homocapsaicin, Homocapsaicin I, 58493-48-4, E-Homocapsaicin, HomocapsaicinI, S5KLC0JPH3, (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide, UNII-S5KLC0JPH3, N-VANILLYL-9-METHYLDEC-7-(E)-ENAMIDE, TRANS-N-VANILLYL-9-METHYLDEC-7-ENAMIDE, VANILLYLAMIDE OF 9-METHYLDEC-TRANS-7-ENOIC ACID, (3e)-n-(4-hydroxy-3-methoxybenzyl)-9-methyldec-7-enamide, (e)-n-(4-hydroxy-3-methoxybenzyl)-9-methyldec-7-enamide, 7-Decenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-9-methyl-, (7E)-, 7-DECENAMIDE, N-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-9-METHYL-, (E)-, HOMOCAPSAICIN [DSC], SCHEMBL1878909, DTXSID50894012, 9-methyl-N-vanillyl-7-decenamide, CHEBI:165229, JKIHLSTUOQHAFF-VQHVLOKHSA-N, (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methyl-dec-7-enamide, trans-9-methyl-N-vanillyl-7-decenamide, G90827, HOMOCAPSAICIN (CONSTITUENT OF CAPSICUM), HOMOCAPSAICIN (CONSTITUENT OF CAPSICUM) [DSC], (7E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyl-7-decenamide, 9CI |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from the pungent principle of red pepper (Capsicum annuum). Homocapsaicin is found in many foods, some of which are green bell pepper, pepper (c. annuum), herbs and spices, and italian sweet red pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide |
| Prediction Hob | 0.0 |
| Class | Phenols |
| Xlogp | 4.1 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Molecular Formula | C19H29NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKIHLSTUOQHAFF-VQHVLOKHSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -3.855 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 3.773 |
| Synonyms | 9-Methyl-N-vanillyl-7-decenamide, Homocapsaicin, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyl-7-decenamide, 9CI, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyl-7-decenamide, 9ci, (7E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enimidate |
| Compound Name | Homocapsaicin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 319.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.215 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 319.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.2831024782608695 |
| Inchi | InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+ |
| Smiles | CC(C)/C=C/CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capsicum Baccatum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Capsicum Festigiatum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Capsicum Minimum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Capsicum Tetragonum (Plant) Rel Props:Reference: